Geometry & MOs

Info

ID:	401859
PubChem CID:	135052999
Reduced:	NO5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	-74.25
Dipole, Da:	7.35
IP(EA), eV:	-10.18(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-hydroxy-3-(3-methylphenyl)prop-1-ynyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCC(=O)C(C(=O)C1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations